3DET
Structure of the E148A, Y445A doubly ungated mutant of E.coli CLC_Ec1, Cl-/H+ antiporter
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 178 |
Detector technology | CCD |
Collection date | 2008-04-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 231.167, 97.514, 173.277 |
Unit cell angles | 90.00, 132.88, 90.00 |
Refinement procedure
Resolution | 59.030 - 2.800 |
R-factor | 0.25698 |
Rwork | 0.255 |
R-free | 0.29885 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ots |
RMSD bond length | 0.016 |
RMSD bond angle | 1.730 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.000 | 2.860 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.106 | 0.160 |
Number of reflections | 60533 | |
<I/σ(I)> | 10.9 | 4.2 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 7.3 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 300 mM KCl, 26.6% PEG 600, 50 mM Na-cacodylate pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |